5-Chloro-2-methylbenzoic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 169.5–171 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed93% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage93% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7499-06-1SMILES
Cc1ccc(Cl)cc1C(=O)OInChIKey
CSAPESWNZDOAFU-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 5-chloro-2-methyl-
- o-Toluic acid, 5-chloro-
- 5-Chloro-o-toluic acid
- NSC 407520
- 3-Chloro-6-methylbenzoic acid
Work with 5-Chloro-2-methylbenzoic acid
Similar compounds
4-Chloro-2-methylbenzoic acid7499-07-275 % similar
4-Chlorophthalic acid89-20-368 % similar
2,5-Dichlorobenzoic acid50-79-366 % similar
5-Chloro-2-iodobenzoic acid13421-00-665 % similar
2,5-Dimethylbenzoic acid610-72-064 % similar
5-Chlorosalicylic acid321-14-262 % similar
5-Iodo-2-methylbenzoic acid54811-38-062 % similar
5-Hydroxy-2-methylbenzoic acid578-22-362 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.